U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H9NO5S
Molecular Weight 279.269
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Phenyl 2-nitrobenzenesulfonate

SMILES

[O-][N+](=O)C1=CC=CC=C1S(=O)(=O)OC2=CC=CC=C2

InChI

InChIKey=PAWIDEIFQKJVBG-UHFFFAOYSA-N
InChI=1S/C12H9NO5S/c14-13(15)11-8-4-5-9-12(11)19(16,17)18-10-6-2-1-3-7-10/h1-9H

HIDE SMILES / InChI

Molecular Formula C12H9NO5S
Molecular Weight 279.269
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 12:50:00 GMT 2025
Edited
by admin
on Wed Apr 02 12:50:00 GMT 2025
Record UNII
E24NG9VE8D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Phenyl 2-nitrobenzenesulfonate
Systematic Name English
Phenyl o-nitrobenzenesulfonate
Preferred Name English
Benzenesulfonic acid, 2-nitro-, phenyl ester
Systematic Name English
NSC-146137
Code English
Code System Code Type Description
CAS
41480-05-1
Created by admin on Wed Apr 02 12:50:00 GMT 2025 , Edited by admin on Wed Apr 02 12:50:00 GMT 2025
PRIMARY
EPA CompTox
DTXSID20194374
Created by admin on Wed Apr 02 12:50:00 GMT 2025 , Edited by admin on Wed Apr 02 12:50:00 GMT 2025
PRIMARY
NSC
146137
Created by admin on Wed Apr 02 12:50:00 GMT 2025 , Edited by admin on Wed Apr 02 12:50:00 GMT 2025
PRIMARY
FDA UNII
E24NG9VE8D
Created by admin on Wed Apr 02 12:50:00 GMT 2025 , Edited by admin on Wed Apr 02 12:50:00 GMT 2025
PRIMARY
PUBCHEM
98543
Created by admin on Wed Apr 02 12:50:00 GMT 2025 , Edited by admin on Wed Apr 02 12:50:00 GMT 2025
PRIMARY
ECHA (EC/EINECS)
255-388-6
Created by admin on Wed Apr 02 12:50:00 GMT 2025 , Edited by admin on Wed Apr 02 12:50:00 GMT 2025
PRIMARY